Abstract
Kesambi (Schleichera oleosa) is a plant belonging to the Sapindaceae familia. This study aims to determine the secondary metabolite compounds found in kesambi leaves through histochemical analysis and derivatives of active compounds in silico. Descriptive experimental research method was conducted in January using samples of kesambi plants that grow on the island of Madura. Histochemical analysis was carried out by preparing fresh leaves through lower leaf incisions with secondary metabolite detection reagents (CuSO4, FeCl3, Wagner, Sudan III, AlCl3 & FeCl3+NaCO3) then microscopic color changes were observed. In silico testing aims to determine the interaction of active compounds with ER? as a target for ER + breast cancer therapy through molecular docking. Supporting software used is KNApSAcK, Pubchem, Pass Online, PDB ID, PyRx, PyMol and Chimera 1.14. The results showed that through histochemical analysis six secondary metabolite compounds were identified, namely terpenoids, flavonoids, alkaloids, tannins, lipophils and phenols. While in silico analysis, the active compound is scopoletin which is derived from phenol, beta-sitosterol, betulin, betulinic acid, lupeol, lupeol acetate, schleicheol 1&2, schleicherastatin 1-7 which are derivatives of terpenoids. Based on the results of molecular docking, there are interactions of active compounds with 3ERT protein, the compounds that provide the most effective results as candidates for breast cancer drugs are lupeol acetate with a value of Root Mean Square Deviation (RMSD) lb 1,588 Å and ub 2,219 Å . Lupeol acetate compound is predicted to have activity as an Er? inhibitor against ER+ breast cancer.
 Keywords: Kesambi (Schleichera oleosa), histochemistry, molecular docking and ER?.
Highlights
N Kesambi (Schleichera oleosa) leaves based on histochemical and in silico analysis
The results of this study indicate that based on histochemical analysis kesambi leaves contain secondary metabolites, namely terpenoids in CuSO4 5% brownish yellow, flavonoids in AlCl3 10% yellow, red brown wagner reagent alkaloids, tannin in FeCl3 10% dark brown, lipophils in Sudan III orange and phenol FeCl3+NaCO3 10% are dark green
The result of molecular docking is an interaction of active compounds with 3ERT protein
Summary
Profil Metabolit Daun Kesambi (Schleichera oleosa) Berdasarkan Analisis Histokimia dan In Silico. Analisis in silico digunakan untuk mengetahui interaksi senyawa aktif dengan reseptor estrogen Alpha (ERα) sebagai terapi kanker payudara melalui molecular docking. Analisis in silico meliputi pencarian senyawa aktif kesambi (KNApSAck), mengunduh struktur senyawa aktif (PubChem) serta struktur protein target (PDB ID:3ERT) dengan webserver RCSB PDB yang dipreparasi menggunakan program Discovery studio dan terakhir menginteraksikan ligan dan reseptor dengan program PyRx yang divisualisasi dengan program PyMol. Hasil penelitian ini menunjukkan bahwa berdasarkan analisis histokimia daun kesambi mengandung senyawa metabolit sekunder yaitu terpenoid dalam CuSO4 5% berwarna kuning kecoklatan, flavonoid dalam AlCl3 10% kuning, alkaloid reagen wagner merah kecoklatan, tannin dalan FeCl3 10% berwarna coklat tua, lipofil dalam Sudan III jingga dan fenol FeCl3 10 % berwarna hijau gelap. Kata Kunci : Kesambi (Schleichera oleosa), histokimia, molecular docking dan ERα
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
